Chemical Properties of Isophthalic acid, monoamide, N-(2-ethylhexyl)-, nonyl ester

InChI

InChI=1S/C25H41NO3/c1-4-7-9-10-11-12-13-18-29-25(28)23-17-14-16-22(19-23)24(27)26-20-21(6-3)15-8-5-2/h14,16-17,19,21H,4-13,15,18,20H2,1-3H3,(H,26,27)

InChI Key

GELHSZURGOKUJM-UHFFFAOYSA-N

Formula

C25H41NO3

SMILES

CCCCCCCCCOC(=O)c1cccc(C(O)=NCC(CC)CCCC)c1

Molecular Weight¹

403.60

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-664.15	kJ/mol	Joback Calculated Property
ΔvapH°	103.02	kJ/mol	Joback Calculated Property
log10WS	-7.64		Crippen Calculated Property
logPoct/wat	7.115		Crippen Calculated Property
McVol	358.340	ml/mol	McGowan Calculated Property
Pc	943.26	kPa	Joback Calculated Property
Inp	[3225.00; 3225.00]
Inp	3225.00		NIST
Inp	3225.00		NIST
Tboil	1047.65	K	Joback Calculated Property
Tc	1286.46	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N-(2-ethylhexyl)-, nonyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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